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yoshida-lab
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XenonPy
XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Data type checking for auto-parallel
#220
TsumiNa
closed
3 years ago
1
add ismd
#219
TsumiNa
closed
3 years ago
1
Check the data type when doing automatic parallel in BaseFeaturizer
#218
TsumiNa
closed
3 years ago
0
SMC data frame compatibility and update Fingerprints
#217
stewu5
closed
3 years ago
3
remove epoch parameter from `scheduler.step()`
#216
TsumiNa
closed
3 years ago
1
Dataframe compatibility
#215
stewu5
closed
3 years ago
0
Add list support to Spliter
#214
TsumiNa
closed
3 years ago
0
Update heatmap.py
#213
TsumiNa
closed
3 years ago
1
Add `feature_labels` to `BaseDescriptor`
#212
TsumiNa
closed
3 years ago
2
BaseDescriptor does not have feature_labels
#211
stewu5
closed
3 years ago
3
Cannot access MDL server
#210
ISkWW-Z3
opened
3 years ago
34
20200911
#209
qi-zh
closed
3 years ago
0
ismd
#208
qi-zh
closed
3 years ago
1
20200902
#207
qi-zh
closed
3 years ago
0
move to readthedocs version 2
#206
TsumiNa
closed
3 years ago
0
N gram post processing
#205
qi-zh
closed
3 years ago
0
A draft version of ISMD(inverse synthesizable molecular design)
#204
qi-zh
closed
3 years ago
0
Error message mistake in splitter initialization
#203
stewu5
closed
3 years ago
0
import xenonpy permission error
#202
tonosunn-dn
opened
4 years ago
2
NGram post-processing
#201
qi-zh
closed
4 years ago
0
Test
#200
TsumiNa
closed
4 years ago
0
Pin codecov's version to 1.0.7
#199
TsumiNa
closed
4 years ago
0
Modify metric for training NN to support multiple output case
#198
stewu5
opened
4 years ago
0
Example notebooks
#197
knobeee
opened
4 years ago
1
Use scikit-learn PowerTransform
#196
TsumiNa
closed
3 years ago
1
Move CI to github action
#195
TsumiNa
closed
4 years ago
1
Let Splliter support python list
#194
TsumiNa
closed
3 years ago
0
Improve Persist
#193
TsumiNa
closed
4 years ago
0
test auto reshape when using TensorConvert
#192
TsumiNa
closed
4 years ago
1
Use joblib parallel as default parallel tool
#191
TsumiNa
closed
4 years ago
1
Descriptor calculation problem: unable to apply for new dataset
#190
M-asaki-K
closed
4 years ago
5
DataLoader problem: shape of pd.Series (x, ) did not automatically reformat to (x, 1)
#189
stewu5
closed
4 years ago
0
BaseDescriptor bug: featurizers option in Fingerprint class matches subset of string
#188
stewu5
closed
4 years ago
0
Let pymatgen installation use pip.
#187
TsumiNa
closed
4 years ago
0
Create sparse_conversion.py
#186
stewu5
opened
4 years ago
1
Add cuda property for BaseTrainer
#185
TsumiNa
closed
4 years ago
1
Add classification support
#184
TsumiNa
closed
4 years ago
1
Update readme and installation docs
#183
TsumiNa
closed
4 years ago
1
Fix logo
#182
TsumiNa
closed
4 years ago
0
Update CIs
#181
TsumiNa
closed
4 years ago
1
fix typos
#180
TsumiNa
closed
4 years ago
0
bump copyright 2019 to 2020
#179
zguo235
closed
4 years ago
1
Update NGram table index
#178
stewu5
opened
4 years ago
0
Default GaussLogLikelihood predict function missing return_std=True
#177
stewu5
closed
3 years ago
0
Update error message in preset
#176
stewu5
closed
4 years ago
0
Merge to master
#175
TsumiNa
closed
4 years ago
0
Update frozen_featurizer.py
#174
stewu5
closed
4 years ago
1
Length inconsistent error in log likelihood calculation
#173
TsumiNa
closed
4 years ago
1
merge to maser
#172
TsumiNa
closed
4 years ago
1
Create pythonapp.yml
#171
TsumiNa
closed
4 years ago
1
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